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"created_at": "2022-09-04T14:37:10.851511Z",
"updated_at": "2022-09-04T14:37:10.851539Z",
"structure_string": "H2 C4 S2 N2 O4\n1.0\n4.549051 -0.018487 1.033105\n0.695555 5.803559 1.654811\n-0.064320 -0.207336 6.256704\nH C S N O\n2 4 2 2 4\ndirect\n0.658278 0.621099 0.138002 H\n0.658238 0.121047 0.638049 H\n0.114490 0.711133 0.261079 C\n0.114464 0.211073 0.761105 C\n0.809950 0.348851 0.787036 C\n0.809977 0.848917 0.286984 C\n0.181655 0.444270 0.247672 S\n0.181645 0.944232 0.747607 S\n0.607415 0.740730 0.238323 N\n0.607380 0.240661 0.738388 N\n0.756335 0.529540 0.852712 O\n0.756358 0.029609 0.352657 O\n0.318589 0.850708 0.255875 O\n0.318552 0.350631 0.755961 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 2.049564745890217,
"density_atomic": 0.08380165459543817,
"volume": 167.0611405894855,
"volume_molar": 7.186183601114506,
"formula_full": "H2 C4 S2 N2 O4",
"formula_reduced": "HC2SNO2",
"formula_anonymous": "ABCD2E2",
"energy_above_hull": 4.300678607142857,
"spacegroup": 1
}
]
}